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Home > Boronic Acids > 1627563-96-5
1627563-96-5 | 1,2,3,4-Tetrahydroquinoline-6-boronic acid, pinacol ester
CAS No: 1627563-96-5 Catalog No: AG00HYS4 MDL No:MFCD22690668
Product Description
Catalog Number:
AG00HYS4
Chemical Name:
1,2,3,4-Tetrahydroquinoline-6-boronic acid, pinacol ester
CAS Number:
1627563-96-5
Molecular Formula:
C15H22BNO2
Molecular Weight:
259.1517
MDL Number:
MFCD22690668
IUPAC Name:
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-8-13-11(10-12)6-5-9-17-13/h7-8,10,17H,5-6,9H2,1-4H3
InChI Key:
ISDHEULQJVJXED-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)CCCN2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.174g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.156g/mol
Monoisotopic Mass:
259.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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